{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.212023 0.791639 ] [ 0.25 0.525923 0.901726 ] [ 0.25 0.025923 0.598274 ] [ 0.25 0.287977 0.291639 ] [ 0.75 0.32752 0.501071 ] [ 0.25 0.787977 0.208361 ] [ 0.25 0.67248 0.498929 ] [ 0.75 0.974077 0.401726 ] [ 0.25 0.17248 0.001071 ] [ 0.75 0.82752 0.998929 ] [ 0.75 0.712023 0.708361 ] [ 0.75 0.474077 0.098274 ] [ 0.75 0.077457 0.172459 ] [ 0.25 0.922543 0.827541 ] [ 0.25 0.422543 0.672459 ] [ 0.75 0.577457 0.327541 ] [ 0.25 0.666492 0.061722 ] [ 0.75 0.333508 0.938278 ] [ 0.75 0.833508 0.561722 ] [ 0.25 0.166492 0.438278 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.51795309 "source-unit" "angstrom" } "b" { "source-value" 9.69647249 "source-unit" "angstrom" } "c" { "source-value" 16.66595427 "source-unit" "angstrom" } }